CAS Registry Number: 206750-29-0
 Name:

ethyl 3-isothiocyanatobutanoate

Ethyl dl-3-isothiocyanatobutyrate

Chemical Formula: C7H11NO2S
Exact Mass: 173.05
Molecular Weight: 173.23
m/z: 173.05 (100.0%), 174.05 (8.7%), 175.05 (4.6%)

InChI
InChI=1S/C7H11NO2S/c1-3-10-7(9)4-6(2)8-5-11/h6H,3-4H2,1-2H3
InChI Key
BJPWLYQGLIRJLZ-UHFFFAOYSA-N
Canonical SMILES
CCOC(=O)CC(C)N=C=S

Specification

98%

Synlett, 23(18), 2639-2642; 2012

PCT Int. Appl., 2001056567, 09 Aug 2001